Lennard-Jones Potential - distance of closest approach

AI Thread Summary
The discussion focuses on finding the distance of closest approach for two atoms in a Lennard-Jones potential, utilizing energy conservation principles. The equation derived leads to a quadratic form that provides two roots, one positive and one negative. The positive root corresponds to the physical distance where the atoms interact, while the negative root raises questions about its physical interpretation, possibly relating to a virtual turning point or tunneling effect. The participants note that the presence of a negative solution is problematic, as it cannot represent a physical distance. The conversation emphasizes the need for clarity on the implications of these roots in the context of atomic interactions.
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Here's my solution to the problem of finding the distance of closest approach for two atoms approaching each other in a Lennard-Jones potential, starting with velocities (+/-) v_0:

They start with energy T0 = (1/2)m(2v02) which is conserved. Thus,
E = T + V = (1/2)m(2v2) + A/r12 - B/r6 = T0. At the distance of closest approach, v=0 and we have:
T0 = A/rt12 - B/rt6. If we let x = rt6 and rearrange:
T0x2 + Bx - A = 0
which has the solutions
x = (1/2T0)(-B +/- sqrt(B2 + 4AT_0)

My question is - what, physically, do each of these roots correspond to? They're both real, but of opposite sign - is the negative one a kind of 'virtual' turning point for the atoms passing through each other (tunnelling?) and coming out the other side?
 
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The solutions are not all real. You have defined ##x=r_t^6##. Note that the solution ##x=\frac{1}2{T_0}(-B-\sqrt{B^2+4AT_0})## is negative assuming of course that A and B are positive. That cannot be for an even power of a number.
 
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